name total energy Backbone Hbon Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds HSE1_1SEM-27_1.PDB 6.73000 -39.34000 -12.44000 -68.15000 -5.06000 85.46000 -87.13000 10.56000 36.46000 89.21000 0.00000 0.00000 0.00000 4.56000 16.21000 0.00000 -3.30000 0.00000 -4.08000 0.00000 0.00000 64.00000 HSE1_1SEM-27_2.PDB 6.32000 -38.61000 -12.30000 -68.21000 -5.04000 85.45000 -87.33000 11.13000 36.76000 87.23000 0.00000 0.00000 0.00000 4.43000 16.30000 0.00000 -3.37000 0.00000 -3.83000 0.00000 0.00000 64.00000 HSE1_1SEM-27_3.PDB 10.39000 -39.31000 -12.94000 -68.30000 -4.30000 85.47000 -87.57000 13.29000 37.11000 88.62000 0.00000 0.00000 0.00000 4.91000 16.32000 0.00000 -3.26000 0.00000 -3.32000 0.00000 0.00000 64.00000 HSE1_1SEM-27_4.PDB 7.38000 -40.59000 -13.26000 -68.72000 -4.73000 86.50000 -87.80000 11.59000 37.54000 89.72000 0.00000 0.00000 0.00000 4.67000 16.43000 0.00000 -3.63000 0.00000 -3.91000 0.00000 0.00000 64.00000 HSE1_1SEM-27_5.PDB 7.20000 -40.19000 -12.83000 -67.63000 -4.68000 85.22000 -86.65000 11.39000 36.74000 88.29000 0.00000 0.00000 0.00000 4.52000 16.21000 0.00000 -3.49000 0.00000 -3.50000 0.00000 0.00000 64.00000 HSE1_1SEM-27_6.PDB 8.89000 -40.82000 -13.45000 -70.12000 -4.53000 87.55000 -89.53000 14.42000 37.99000 90.02000 0.00000 0.00000 0.00000 4.53000 16.54000 0.00000 -3.61000 0.00000 -3.55000 0.00000 0.00000 64.00000 HSE1_1SEM-27_7.PDB 8.83000 -38.58000 -9.94000 -66.91000 -3.05000 82.65000 -86.55000 10.41000 33.90000 87.33000 0.00000 0.00000 0.00000 5.21000 16.17000 0.00000 -2.98000 0.00000 -2.67000 0.00000 0.00000 64.00000 HSE1_1SEM-27_8.PDB 9.52000 -39.07000 -12.49000 -66.98000 -3.59000 83.12000 -86.44000 12.17000 35.07000 88.15000 0.00000 0.00000 0.00000 5.41000 16.32000 0.00000 -2.93000 0.00000 -2.91000 0.00000 0.00000 64.00000 HSE1_1SEM-27_9.PDB 7.72000 -39.43000 -12.40000 -67.85000 -4.09000 84.55000 -87.09000 12.28000 36.01000 87.51000 0.00000 0.00000 0.00000 4.76000 16.48000 0.00000 -3.17000 0.00000 -3.36000 0.00000 0.00000 64.00000 HSE1_1SEM-27_10.PDB 6.29000 -40.03000 -12.88000 -68.86000 -5.01000 86.60000 -87.75000 11.43000 37.30000 88.53000 0.00000 0.00000 0.00000 4.38000 16.44000 0.00000 -3.38000 0.00000 -4.04000 0.00000 0.00000 64.00000 HSE1_1SEM-27_11.PDB 8.92000 -39.63000 -12.02000 -67.11000 -3.83000 83.59000 -86.74000 12.41000 35.45000 87.80000 0.00000 0.00000 0.00000 4.39000 16.18000 0.00000 -2.60000 0.00000 -2.79000 0.00000 0.00000 64.00000 HSE1_1SEM-27_12.PDB 7.96000 -40.67000 -11.89000 -67.37000 -4.29000 84.87000 -86.46000 11.18000 36.29000 88.12000 0.00000 0.00000 0.00000 4.97000 16.30000 0.00000 -3.36000 0.00000 -3.42000 0.00000 0.00000 64.00000 HSE1_1SEM-27_13.PDB 9.27000 -40.32000 -10.66000 -68.11000 -2.88000 83.30000 -88.24000 13.86000 35.58000 87.52000 0.00000 0.00000 0.00000 4.25000 16.39000 0.00000 -2.56000 0.00000 -2.47000 0.00000 0.00000 64.00000 HSE1_1SEM-27_14.PDB 7.92000 -42.12000 -14.74000 -70.84000 -4.77000 88.46000 -90.11000 14.87000 38.71000 90.81000 0.00000 0.00000 0.00000 4.74000 16.60000 0.00000 -3.35000 0.00000 -3.75000 0.00000 0.00000 64.00000 HSE1_1SEM-27_15.PDB 9.83000 -40.92000 -11.94000 -70.14000 -4.62000 87.05000 -89.92000 14.88000 36.97000 90.09000 0.00000 0.00000 0.00000 4.42000 16.52000 0.00000 -2.79000 0.00000 -3.24000 0.00000 0.00000 64.00000 HSE1_1SEM-27_16.PDB 8.80000 -38.54000 -10.43000 -66.84000 -3.48000 82.14000 -86.52000 11.95000 34.49000 88.12000 0.00000 0.00000 0.00000 4.11000 16.22000 0.00000 -3.08000 0.00000 -3.13000 0.00000 0.00000 64.00000 HSE1_1SEM-27_17.PDB 6.25000 -41.37000 -13.50000 -68.88000 -4.41000 86.93000 -87.70000 11.03000 38.16000 89.98000 0.00000 0.00000 0.00000 4.14000 16.39000 0.00000 -4.35000 0.00000 -3.79000 0.00000 0.00000 64.00000 HSE1_1SEM-27_18.PDB 8.97000 -43.02000 -14.98000 -69.71000 -4.33000 88.11000 -88.92000 15.20000 39.07000 89.71000 0.00000 0.00000 0.00000 4.43000 16.64000 0.00000 -3.23000 0.00000 -3.35000 0.00000 0.00000 64.00000 HSE1_1SEM-27_19.PDB 7.51000 -39.38000 -11.44000 -66.91000 -3.45000 82.82000 -86.27000 12.05000 35.42000 87.10000 0.00000 0.00000 0.00000 3.99000 16.20000 0.00000 -3.26000 0.00000 -3.17000 0.00000 0.00000 64.00000 HSE1_1SEM-27_20.PDB 6.94000 -39.88000 -11.80000 -67.69000 -4.51000 84.55000 -86.69000 12.04000 36.11000 88.08000 0.00000 0.00000 0.00000 3.69000 16.28000 0.00000 -3.36000 0.00000 -3.61000 0.00000 0.00000 64.00000 HSE1_1SEM-27_21.PDB 8.74000 -38.79000 -10.65000 -68.39000 -3.92000 84.51000 -88.26000 11.52000 35.51000 88.49000 0.00000 0.00000 0.00000 4.50000 16.42000 0.00000 -3.20000 0.00000 -2.59000 0.00000 0.00000 64.00000 HSE1_1SEM-27_22.PDB 9.47000 -39.81000 -10.35000 -67.26000 -3.61000 83.81000 -86.41000 10.64000 35.30000 88.40000 0.00000 0.00000 0.00000 5.13000 16.28000 0.00000 -3.31000 0.00000 -3.05000 0.00000 0.00000 64.00000 HSE1_1SEM-27_23.PDB 8.73000 -38.43000 -10.38000 -66.80000 -3.38000 81.86000 -86.59000 11.84000 34.06000 87.49000 0.00000 0.00000 0.00000 4.59000 16.24000 0.00000 -2.65000 0.00000 -2.88000 0.00000 0.00000 64.00000 HSE1_1SEM-27_24.PDB 7.87000 -39.62000 -11.90000 -66.84000 -3.87000 83.35000 -86.31000 11.78000 35.83000 87.49000 0.00000 0.00000 0.00000 4.02000 16.20000 0.00000 -3.14000 0.00000 -2.92000 0.00000 0.00000 64.00000 HSE1_1SEM-27_25.PDB 8.78000 -39.33000 -11.28000 -66.49000 -3.80000 82.49000 -86.05000 12.86000 34.83000 87.49000 0.00000 0.00000 0.00000 3.96000 16.19000 0.00000 -3.10000 0.00000 -2.81000 0.00000 0.00000 64.00000 HSE1_1SEM-27_26.PDB 10.00000 -41.24000 -13.70000 -69.16000 -3.41000 86.56000 -88.59000 14.41000 37.67000 88.86000 0.00000 0.00000 0.00000 4.78000 16.49000 0.00000 -3.02000 0.00000 -3.16000 0.00000 0.00000 64.00000 HSE1_1SEM-27_27.PDB 11.29000 -40.34000 -12.36000 -69.46000 -3.03000 85.36000 -89.50000 17.15000 36.50000 88.95000 0.00000 0.00000 0.00000 3.14000 16.51000 0.00000 -2.56000 0.00000 -2.58000 0.00000 0.00000 64.00000 HSE1_1SEM-27_28.PDB 8.64000 -42.41000 -14.59000 -69.51000 -3.90000 87.02000 -89.07000 14.26000 38.24000 88.84000 0.00000 0.00000 0.00000 5.66000 16.52000 0.00000 -2.83000 0.00000 -3.08000 0.00000 0.00000 64.00000 HSE1_1SEM-27_29.PDB 10.07000 -39.38000 -9.91000 -67.65000 -3.20000 82.59000 -87.83000 12.89000 34.38000 87.63000 0.00000 0.00000 0.00000 5.85000 16.47000 0.00000 -2.62000 0.00000 -2.68000 0.00000 0.00000 64.00000 HSE1_1SEM-27_30.PDB 8.96000 -43.12000 -15.11000 -70.01000 -4.60000 88.61000 -89.17000 14.87000 39.22000 89.73000 0.00000 0.00000 0.00000 5.28000 16.56000 0.00000 -3.41000 0.00000 -3.32000 0.00000 0.00000 64.00000